N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide

C22H24F3N3O4S — CID 154940885

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CCCC2)c1
InChIInChI=1S/C22H24F3N3O4S/c1-14-7-8-15(20(11-12-20)22(23,24)25)16(13-14)32-21(9-2-3-10-21)19(29)28-33(30,31)18-6-4-5-17(26)27-18/h4-8,13H,2-3,9-12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyDLBYABIOPOKWOM-UHFFFAOYSA-N
MW483.51 g/mol
LogP3.76
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide (PubChem CID 154940885) has the molecular formula C22H24F3N3O4S and a molecular weight of 483.51 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
PubChem CID154940885
Molecular FormulaC22H24F3N3O4S
Molecular Weight483.51 g/mol
Exact Mass483.14
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CCCC2)c1
InChIInChI=1S/C22H24F3N3O4S/c1-14-7-8-15(20(11-12-20)22(23,24)25)16(13-14)32-21(9-2-3-10-21)19(29)28-33(30,31)18-6-4-5-17(26)27-18/h4-8,13H,2-3,9-12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyDLBYABIOPOKWOM-UHFFFAOYSA-N
XLogP3.76
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide (CID 154940885) is N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide is Cc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N)n3)CCCC2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The InChIKey is DLBYABIOPOKWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4S/c1-14-7-8-15(20(11-12-20)22(23,24)25)16(13-14)32-21(9-2-3-10-21)19(29)28-33(30,31)18-6-4-5-17(26)27-18/h4-8,13H,2-3,9-12H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide has a molecular weight of 483.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide is sourced from PubChem (CID 154940885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).